NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3412 8.3027 118.9360 55.9590 31.8012 174.1359 2 V 3.9491 8.0547 121.7033 62.3588 32.1138 173.8284 3 K 4.8023 9.9922 128.0912 54.5524 36.5839 174.7046 4 L 5.2970 8.5998 122.6823 53.0016 45.1806 176.2011 5 V 4.3506 8.6987 122.8975 61.1662 34.2271 174.5851 6 E 5.0667 8.9724 127.7232 56.7374 30.9617 175.8772 7 S 4.4581 9.1047 115.6224 58.0756 66.8350 175.2278 8 G 3.9341 9.2497 107.3920 45.1101 0.0000 173.8020 9 G 4.2536 7.3474 107.7781 43.3330 0.0000 174.7397 10 G 4.2439 6.7937 112.0274 44.8652 0.0000 175.3379 11 L 5.2548 8.5392 124.3190 52.8967 44.7896 174.2997 12 V 4.5840 8.6226 125.4161 60.6592 35.0104 174.3921 13 Q 4.5816 8.8678 125.1659 55.4645 29.1966 174.7913 14 P 4.4178 0.0000 0.0000 64.0749 31.4107 176.8565 15 G 4.0102 9.3867 110.7699 45.9019 0.0000 174.2388 16 G 3.9249 7.4571 107.1468 46.0440 0.0000 172.5616 17 S 5.2426 8.2484 114.4135 56.8758 66.6096 173.6968 18 L 4.5026 8.7963 123.0637 54.1816 45.9488 173.9738 19 S 5.0502 8.3959 118.8255 56.7181 65.8794 173.5179 20 L 4.7442 8.4814 124.5526 53.4125 44.0835 175.7719 21 S 5.2249 8.6218 117.0289 57.0900 66.8229 172.8754 22 C 5.1004 8.9948 121.5027 54.9849 47.3940 172.6142 23 A 4.7160 8.8617 129.7798 51.5805 19.3666 176.1611 24 T 5.3265 8.0929 112.2863 60.1988 72.1910 173.0466 25 S 4.1189 8.8798 116.1794 58.1087 66.9676 174.8259 26 G 4.1432 10.4517 106.0614 46.3341 0.0000 172.8461 27 F 4.6910 6.8752 111.6421 55.8511 40.2754 174.3806 28 T 4.2226 8.5944 118.5466 62.6999 67.5784 175.2362 29 F 4.3349 9.0093 129.9183 61.3172 39.5379 177.5492 30 I 3.9639 7.9877 112.3313 63.0676 37.7001 176.8375 31 D 4.5154 8.1492 119.9299 55.6410 40.9574 175.5177 32 Y 4.7708 7.8059 117.0405 55.8356 40.8250 175.5257 33 Y 4.5674 8.8508 120.5034 58.6959 39.6334 174.8756 34 M 5.3596 9.2180 121.2508 53.7581 36.4437 174.4180 35 S 5.2237 9.0610 116.4436 56.3315 66.6404 172.4106 36 W 5.2713 9.1379 124.5554 55.0828 32.1401 174.8241 37 F 5.7541 9.9639 121.9351 56.2601 43.6260 173.5325 38 R 5.1463 9.3578 115.2762 55.3356 33.2400 173.9670 39 Q 4.7402 9.0297 121.2670 53.7123 31.6307 173.3505 40 P 4.8081 0.0000 0.0000 61.4579 32.2198 174.3695 41 P 4.3822 0.0000 0.0000 64.1442 31.5667 176.8123 42 G 3.9043 8.8861 109.2913 46.0131 0.0000 172.6329 43 K 4.5588 7.9566 118.3654 53.6551 34.9664 175.6323 44 A 4.2361 8.2192 122.1821 51.9825 18.8212 177.4360 45 L 4.5013 8.1939 119.7361 55.3512 42.6718 176.4534 46 E 4.8852 9.1817 121.4209 54.6585 33.5093 173.6328 47 W 4.8618 9.1066 135.0000 56.8397 31.8718 174.6665 48 L 4.2081 7.9496 126.0139 55.2420 43.3588 176.6595 49 G 3.6540 6.6076 102.6329 45.4530 0.0000 170.8162 50 L 5.4139 8.8397 119.5256 54.2791 44.6685 174.9311 51 I 4.9293 8.8935 119.5194 59.3555 41.4941 175.4323 52 R 3.6796 8.8201 128.7327 54.8578 32.4536 175.3888 52A N 5.1427 8.0811 117.6762 51.6560 39.3910 175.8041 52B K 2.7088 8.6108 118.3665 59.2491 31.7748 178.9284 52C G 3.6970 7.9209 104.4664 47.0265 0.0000 174.1184 53 N 4.8453 7.9415 116.8626 52.3518 38.6352 175.8828 54 G 3.6982 7.9785 107.5968 46.0303 0.0000 173.7134 55 Y 4.2209 7.4969 113.7722 57.7224 36.2052 170.8943 56 T 4.3682 7.2261 108.0217 61.8826 70.6306 172.8497 57 M 5.2030 8.3197 119.9989 53.5879 36.0205 174.9881 58 E 4.7386 8.6512 120.0337 54.8507 33.8172 174.4859 59 Y 4.9478 8.3795 119.4339 55.8418 42.4851 175.0637 60 S 4.4536 8.4690 118.2105 58.1473 63.0428 175.0615 61 A 4.1332 9.1132 129.6747 54.9600 17.9291 179.0765 62 S 4.1912 7.5050 110.6224 60.6608 63.4780 175.7525 63 L 3.8386 7.7240 121.6188 54.0709 42.0717 176.1749 64 K 3.6809 8.2478 117.3709 57.9040 29.1498 176.0181 65 G 3.8511 7.9055 103.5397 46.2731 0.0000 175.4000 66 R 3.7243 7.7342 119.2864 57.8562 30.3691 176.1562 67 F 5.5962 7.3700 116.1680 55.7776 41.4029 175.1060 68 T 4.5897 8.7564 111.8790 60.0845 72.5983 172.6283 69 I 5.2629 9.0536 122.8363 59.8967 40.7943 174.8444 70 S 5.0183 8.8484 118.5952 57.2540 67.1116 172.6497 71 R 5.1556 8.4698 115.3220 54.7871 32.7174 174.6042 72 D 4.7817 9.3992 122.4399 52.8697 41.1708 176.5982 73 N 4.7647 8.8320 124.4217 55.8473 39.0725 177.1919 74 S 4.2881 8.2091 112.2523 60.8044 63.4603 174.9723 75 Q 4.1053 8.3722 117.3480 55.1331 29.3729 175.3347 76 S 2.0000 7.5615 113.7828 59.3693 60.7162 171.3072 77 I 4.7723 6.7519 119.4330 59.2543 40.7188 176.2027 78 V 5.0004 8.4221 125.1713 60.2815 34.4345 174.1962 79 Y 5.3036 9.1577 119.1536 56.1915 42.3890 174.2315 80 L 4.4684 8.1560 123.7918 53.4825 44.8861 174.6870 81 H 5.0760 8.6493 124.3864 54.4592 30.7580 173.9837 82 M 5.1639 8.9702 123.3994 53.3226 35.5727 174.4443 82A N 5.1525 8.5694 119.0915 50.7792 41.2065 173.8084 82B T 3.6876 8.1340 112.1733 63.5071 66.0248 173.0846 82C L 4.4315 8.1564 121.7327 54.7895 42.9735 177.3587 83 T 5.1302 8.9437 112.6182 59.2990 71.8535 174.3928 84 A 4.1685 8.5825 122.7024 55.5573 18.3550 179.5050 85 E 4.0013 7.7942 114.1810 58.9192 29.5697 177.5351 86 D 4.8899 7.7858 116.9114 54.1124 41.5053 176.6045 87 S 4.5927 8.2246 117.2906 59.0642 63.2088 173.4866 88 A 4.4807 8.6930 124.6081 51.6867 23.5003 174.6960 89 T 4.6421 8.5744 116.7211 63.0984 70.1980 173.9279 90 Y 4.9434 8.9003 124.3738 56.5130 40.5119 174.3974 91 Y 5.5387 9.7153 121.6514 56.4743 41.9613 173.7119 92 C 4.5048 9.9617 123.1743 54.8458 47.0541 172.2941 93 A 4.9995 8.4371 126.3153 49.9775 22.2616 175.4802 94 R 4.2737 8.8697 122.4397 56.1304 31.6979 175.2975 95 V 4.5139 8.3901 124.6019 61.1383 33.7543 174.0705 96 D 4.8708 8.9618 127.8681 53.0955 43.7808 175.5389 97 Y 2.9641 8.8924 120.6765 58.9679 35.6761 171.4401 98 G 4.0187 8.8354 112.8870 45.5131 0.0000 176.3629 99 T 4.0775 6.9551 106.3032 60.2736 69.4692 173.5335 100 N 4.5102 7.9306 121.6410 52.9095 37.7977 174.0459 100A Y 4.5135 7.8360 123.9655 57.0978 36.5220 175.7096 101 D 4.6017 8.4213 122.5853 54.8013 41.2837 177.4845 102 Y 4.9824 7.9641 115.8487 55.7935 41.8048 174.7041 103 W 5.2113 9.1634 122.5303 54.8560 32.8728 175.5509 104 G 4.1542 8.8309 111.0318 45.3959 0.0000 173.9806 105 Q 4.2927 8.8314 118.1298 57.2596 28.9226 178.2312 106 G 3.8804 9.8836 103.1535 45.5745 0.0000 172.5886 107 T 4.6704 8.4037 113.2181 60.4958 71.2320 172.5980 108 T 4.7450 8.5575 124.8807 62.3112 70.9426 173.1183 109 L 5.0413 8.9803 128.5663 53.6401 44.6429 174.8889 110 T 4.8305 9.0213 123.6048 61.7958 71.3649 173.6177 111 V 5.1265 8.9085 127.2866 60.9738 31.6449 174.4968 112 S 4.7404 8.2446 121.2121 56.7543 65.8047 174.8941 113 S 4.1372 8.8635 119.7590 61.3405 62.9912 175.3475 114 A 4.1371 7.5523 121.3670 51.7025 18.6377 175.9527 115 K 4.5831 7.7247 114.1698 54.6478 35.7237 176.3467 116 T 4.2773 8.5541 118.7334 63.4542 68.6518 173.5121 *148 F 4.2719 8.3870 128.4878 57.2646 40.3186 172.9744 149 P 3.3250 0.0000 0.0000 60.5204 33.1803 175.0348 150 E 3.9698 8.0336 117.4567 56.2687 29.7723 175.0047 151 P 5.1087 0.0000 0.0000 60.8370 34.1341 174.0693 152 V 4.4807 7.9097 115.8438 60.5862 34.1465 174.6991 153 T 4.4432 8.3621 119.4377 62.5520 69.6906 174.1767 154 L 4.6879 8.1630 126.1906 53.8264 45.1722 175.1762 155 T 4.5506 8.2108 114.8610 60.3735 71.6613 174.2107 *170 G 3.7373 8.3017 112.5229 45.3005 0.0000 170.6663 171 V 4.3436 7.4077 120.3108 62.0800 34.7010 174.6845 172 H 4.7339 8.5787 123.7732 54.1038 29.4005 170.5191 173 T 4.7360 8.1383 118.9125 62.7988 69.0545 174.5914 174 F 4.4991 8.8387 126.2990 56.3817 40.3346 174.8956 175 P 4.7548 0.0000 0.0000 62.5457 33.6688 173.6318 176 A 4.6318 8.1681 121.4315 51.2206 22.2247 174.9020 *186 T 4.1722 8.1168 111.4249 62.3528 68.0626 172.5340 187 L 4.6695 8.0345 123.4295 54.5521 43.4364 174.4595 188 S 4.8426 8.2648 113.6242 57.0068 66.0699 174.0622 189 S 5.3111 7.9932 110.8437 57.1986 62.6706 174.2671 190 S 4.3084 8.1067 119.9050 59.9593 62.5408 175.1535 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 E 8.30 4.34 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 2 V 8.05 3.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.49 0.00 0.00 3 K 9.99 4.80 0.00 1.70 1.64 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 L 8.60 5.30 0.00 1.54 1.55 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.70 4.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 6 E 8.97 5.07 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 7 S 9.10 4.46 0.00 3.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.25 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 6.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.54 5.25 0.00 1.64 1.56 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.62 4.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.89 0.00 0.00 13 Q 8.87 4.58 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 14 P 0.00 4.42 0.00 1.97 2.05 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 15 G 9.39 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.46 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.25 5.24 0.00 3.67 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.80 4.50 0.00 1.57 1.24 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.40 5.05 0.00 3.69 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.48 4.74 0.00 0.80 1.40 0.24 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.62 5.22 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.99 5.10 0.00 2.81 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.86 4.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.09 5.33 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 25 S 8.88 4.12 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 10.45 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 6.88 4.69 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.59 4.22 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 29 F 9.01 4.33 0.00 2.81 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.99 3.96 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 1.18 0.00 0.00 31 D 8.15 4.52 0.00 2.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.81 4.77 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.85 4.57 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 9.22 5.36 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 35 S 9.06 5.22 0.00 4.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 9.14 5.27 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.96 5.75 0.00 3.18 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.36 5.15 0.00 1.17 1.44 0.00 2.35 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 39 Q 9.03 4.74 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 40 P 0.00 4.81 0.00 2.24 1.98 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 41 P 0.00 4.38 0.00 2.06 2.02 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 42 G 8.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.96 4.56 0.00 1.88 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 44 A 8.22 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.19 4.50 0.00 1.60 1.75 0.70 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.18 4.89 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 47 W 9.11 4.86 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.95 4.21 0.00 1.70 1.74 1.29 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 G 6.61 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.84 5.41 0.00 2.03 2.04 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.89 4.93 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.04 1.03 0.00 0.00 52 R 8.82 3.68 0.00 1.40 1.12 0.00 2.94 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 52A N 8.08 5.14 0.00 3.12 3.12 0.00 0.00 5.58 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52B K 8.61 2.71 0.00 1.80 1.73 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.24 7.81 52C G 7.92 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.94 4.85 0.00 2.73 2.70 0.00 0.00 6.79 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.98 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.50 4.22 0.00 3.16 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.23 4.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 57 M 8.32 5.20 0.00 1.32 1.90 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 58 E 8.65 4.74 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 59 Y 8.38 4.95 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.47 4.45 0.00 4.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.11 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.50 4.19 0.00 4.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.72 3.84 0.00 1.43 1.01 0.65 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.25 3.68 0.00 1.84 1.83 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 65 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.73 3.72 0.00 2.03 2.20 0.00 3.07 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.58 0.00 67 F 7.37 5.60 0.00 2.44 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.76 4.59 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 69 I 9.05 5.26 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 1.22 0.00 0.00 70 S 8.85 5.02 0.00 3.93 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.47 5.16 0.00 2.09 2.08 0.00 3.01 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 72 D 9.40 4.78 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.83 4.76 0.00 2.78 3.00 0.00 0.00 7.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.21 4.29 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.37 4.11 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 76 S 7.56 2.00 0.00 3.56 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 6.75 4.77 1.64 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.24 0.00 0.00 78 V 8.42 5.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.25 0.00 0.00 79 Y 9.16 5.30 0.00 2.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.16 4.47 0.00 0.27 0.13 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.65 5.08 0.00 3.00 3.06 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.97 5.16 0.00 1.33 1.43 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.00 82A N 8.57 5.15 0.00 2.65 2.71 0.00 0.00 7.08 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82B T 8.13 3.69 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 82C L 8.16 4.43 0.00 1.78 1.62 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.94 5.13 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 84 A 8.58 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.79 4.00 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 86 D 7.79 4.89 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.22 4.59 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.69 4.48 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.57 4.64 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 90 Y 8.90 4.94 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.72 5.54 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.96 4.50 0.00 1.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.44 5.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.87 4.27 0.00 1.63 1.79 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.19 0.00 95 V 8.39 4.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 1.17 0.00 0.00 96 D 8.96 4.87 0.00 3.04 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.89 2.96 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.84 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 6.96 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 100 N 7.93 4.51 0.00 3.00 2.76 0.00 0.00 7.07 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100A Y 7.84 4.51 0.00 3.46 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.42 4.60 0.00 2.45 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.96 4.98 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 9.16 5.21 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.83 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.83 4.29 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 106 G 9.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.40 4.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 108 T 8.56 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 109 L 8.98 5.04 0.00 1.71 1.86 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 T 9.02 4.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 111 V 8.91 5.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 112 S 8.24 4.74 0.00 4.13 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.86 4.14 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.55 4.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.72 4.58 0.00 1.64 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.45 7.81 116 T 8.55 4.28 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 *148 F 8.39 4.27 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 3.32 0.00 1.70 1.17 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 150 E 8.03 3.97 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 151 P 0.00 5.11 0.00 2.14 2.05 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 152 V 7.91 4.48 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 153 T 8.36 4.44 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 154 L 8.16 4.69 0.00 1.56 1.50 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.21 4.55 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *170 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 7.41 4.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 172 H 8.58 4.73 0.00 3.50 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.14 4.74 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 174 F 8.84 4.50 0.00 2.80 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.75 0.00 2.10 2.13 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 176 A 8.17 4.63 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *186 T 8.12 4.17 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 187 L 8.03 4.67 0.00 1.96 1.62 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.26 4.84 0.00 3.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.99 5.31 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.11 4.31 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.